(E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-azanyl-4-[(2S,4S,5R)-5-[(E)-N-[(4-fluorophenyl)methoxy]-C-methyl-carbonimidoyl]-4-oxidanyl-oxolan-2-yl]oxy-phenyl]-2-methyl-prop-2-enamide

Systemtic Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-azanyl-4-[(2S,4S,5R)-5-[(E)-N-[(4-fluorophenyl)methoxy]-C-methyl-carbonimidoyl]-4-oxidanyl-oxolan-2-yl]oxy-phenyl]-2-methyl-prop-2-enamide Openeye Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-amino-4-[(2S,4S,5R)-5-[(E)-N-[(4-fluorophenyl)methoxy]-C-methyl-carbonimidoyl]-4-hydroxy-tetrahydrofuran-2-yl]oxy-phenyl]-2-methyl-prop-2-enamide CAS Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-amino-4-[[(2S,4S,5R)-5-[(1E)-1-[(4-fluorophenyl)methoxyimino]ethyl]-4-hydroxy-2-oxolanyl]oxy]phenyl]-2-methyl-2-propenamide IUPAC Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-amino-4-[(2S,4S,5R)-5-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]-4-hydroxyoxolan-2-yl]oxyphenyl]-2-methylprop-2-enamide Traditional Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-amino-4-[(2S,4S,5R)-5-[(E)-N-(4-fluorobenzyl)oxy-C-methyl-carbonimidoyl]-4-hydroxy-tetrahydrofuran-2-yl]oxy-phenyl]-2-methyl-acrylamide Formula: C30H36FN3O10 MolecularWeight: 617.619343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC2CC(C(O2)C(=NOCC3=CC=C(C=C3)F)C)O)N)C(=O)NC4C(C(C5C(C4O)OCO5)O)O

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1)O[C@H]2C[C@@H]([C@H](O2)/C(=N/OCC3=CC=C(C=C3)F)/C)O)N)/C(=O)N[C@@H]4[C@@H]([C@H]([C@@H]5[C@H]([C@@H]4O)OCO5)O)O

InChI

InChI=1S/C30H36FN3O10/c1-14(30(39)33-23-24(36)26(38)29-28(25(23)37)40-13-41-29)9-17-5-8-21(19(32)10-17)43-22-11-20(35)27(44-22)15(2)34-42-12-16-3-6-18(31)7-4-16/h3-10,20,22-29,35-38H,11-13,32H2,1-2H3,(H,33,39)/b14-9+,34-15+/t20-,22+,23+,24-,25+,26+,27+,28-,29+/m0/s1